1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C16H21ClN2S — CID 64542283

IUPAC1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C)c(CNC(c2ccc(Cl)cc2)C(C)C)s1
InChIInChI=1S/C16H21ClN2S/c1-10(2)16(13-5-7-14(17)8-6-13)18-9-15-11(3)19-12(4)20-15/h5-8,10,16,18H,9H2,1-4H3
InChIKeyCORNYLZMEGETQZ-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.90
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 64542283) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID64542283
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C)c(CNC(c2ccc(Cl)cc2)C(C)C)s1
InChIInChI=1S/C16H21ClN2S/c1-10(2)16(13-5-7-14(17)8-6-13)18-9-15-11(3)19-12(4)20-15/h5-8,10,16,18H,9H2,1-4H3
InChIKeyCORNYLZMEGETQZ-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 64539925
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115640538
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81378611
5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133493717
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 115660798
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 64542283) is 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is Cc1nc(C)c(CNC(c2ccc(Cl)cc2)C(C)C)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is CORNYLZMEGETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-10(2)16(13-5-7-14(17)8-6-13)18-9-15-11(3)19-12(4)20-15/h5-8,10,16,18H,9H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 308.88 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64542283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).